[AMBER] tleap and xleap problem in loading mol2 files

From: <d96543015.ntu.edu.tw>
Date: Fri, 12 Mar 2010 12:51:41 +0800

Dear Amber users

I was trying to load mol2 files into tleap and xleap. However, tleap
and xleap crashed immediately after I typed "loadmol2 db2clean01.mol2"
with the following error output:

> loadmol2 db2clean01.mol2
Loading Mol2 file: ./db2clean01.mol2
Reading MOLECULE named UNK
/home/shih-di/bin/amber10/exe/tleap: line 8: 7595 Segmentation fault
     /home/shih-di/bin/amber10/bin/teLeap
-I/home/shih-di/bin/amber10/dat/leap/prep
-I/home/shih-di/bin/amber10/dat/leap/lib
-I/home/shih-di/bin/amber10/dat/leap/parm
-I/home/shih-di/bin/amber10/dat/leap/cmd $*

The mol2 and original pdb file is enclosed. The mol2 file was prepared
using antechamber because I planed to use GAFF force field. Could
anyone tell me why tleap and xleap vrashed? I got no problem loading
sustiva.mol2 in the example.

Thanks!




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Received on Thu Mar 11 2010 - 21:00:08 PST
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